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8TD

8TD
Name:	5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C9 H11 N3 O
SMILES:	N1(C)C(=O)N(c2cc(N)ccc12)C
InChi:	InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one

8TG

8TG
Name:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one
Formula:	C10 H7 Br N2 O3
SMILES:	N1(C)C(=O)C=Cc2c1cc(c(c2)[N+]([O-])=O)Br
InChi:	InChI=1S/C10H7BrN2O3/c1-12-8-5-7(11)9(13(15)16)4-6(8)2-3-10(12)14/h2-5H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one

8TJ

8TJ
Name:	N-methylthieno[2,3-b]pyridine-2-carboxamide
Formula:	C9 H8 N2 O S
SMILES:	N(C(=O)c2cc1c(nccc1)s2)C
InChi:	InChI=1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylthieno[2,3-b]pyridine-2-carboxamide

8TP

8TP
Name:	N-[2-(phenylamino)ethyl]acetamide
Formula:	C10 H14 N2 O
SMILES:	N(C(C)=O)CCNc1ccccc1
InChi:	InChI=1S/C10H14N2O/c1-9(13)11-7-8-12-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3,(H,11,13)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[2-(phenylamino)ethyl]acetamide

8TS

8TS
Name:	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile
Formula:	C12 H14 N4 O
SMILES:	N1(CCN(CC1)c2ccc(C#N)cn2)C(C)=O
InChi:	InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-3-2-11(8-13)9-14-12/h2-3,9H,4-7H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile

8TV

8TV
Name:	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one
Formula:	C11 H15 N3 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ccncc2
InChi:	InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11/h2-5H,6-9H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one

8TY

8TY
Name:	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one
Formula:	C7 H14 N2 O3 S
SMILES:	N1(C(C)=O)CCN(CC1)S(C)(=O)=O
InChi:	InChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one

8U1

8U1
Name:	N-[(4-methoxyphenyl)methyl]acetamide
Formula:	C10 H13 N O2
SMILES:	N(C(C)=O)Cc1ccc(cc1)OC
InChi:	InChI=1S/C10H13NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3,(H,11,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(4-methoxyphenyl)methyl]acetamide

8U4

8U4
Name:	N-[(3-chlorophenyl)methyl]acetamide
Formula:	C9 H10 Cl N O
SMILES:	N(C(C)=O)Cc1cccc(c1)Cl
InChi:	InChI=1S/C9H10ClNO/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3,(H,11,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(3-chlorophenyl)methyl]acetamide

8U7

8U7
Name:	N-(1-benzylpiperidin-4-yl)-N'-methylurea
Formula:	C14 H21 N3 O
SMILES:	N(C)C(NC1CCN(CC1)Cc2ccccc2)=O
InChi:	InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(1-benzylpiperidin-4-yl)-N'-methylurea

8UA

8UA
Name:	N-[(pyridin-2-yl)methyl]acetamide
Formula:	C8 H10 N2 O
SMILES:	N(C(C)=O)Cc1ccccn1
InChi:	InChI=1S/C8H10N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-[(pyridin-2-yl)methyl]acetamide

8UD

8UD
Name:	2-amino-N-methylpyridine-3-carboxamide
Formula:	C7 H9 N3 O
SMILES:	N(C)C(c1cccnc1N)=O
InChi:	InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-amino-N-methylpyridine-3-carboxamide

8UG

8UG
Name:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Formula:	C10 H14 N2 O2
SMILES:	n2cc1c(CCC(C1)C(OCC)=O)n2
InChi:	InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate

8UJ

8UJ
Name:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
Formula:	C11 H20 N2 O3 S
SMILES:	N(CC1CC(=O)N(C1)C2CCCC2)S(C)(=O)=O
InChi:	InChI=1S/C11H20N2O3S/c1-17(15,16)12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide

6GA

6GA
Name:	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
Formula:	C17 H17 F N2 O3
SMILES:	O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F
InChi:	InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1
Definition date:	2016-04-05
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide

6K5

6K5
Name:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Formula:	C18 H21 Cl F3 N7 O2
SMILES:	FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F
InChi:	InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24)
Definition date:	2016-04-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol

6K7

6K7
Name:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Formula:	C19 H22 Cl F3 N6 O2
SMILES:	c2(N1CCOCC1)cc(nc(n2)N3CC(C3)(CO)CCl)c4c(C(F)(F)F)cc(nc4)N
InChi:	InChI=1S/C19H22ClF3N6O2/c20-8-18(11-30)9-29(10-18)17-26-14(6-16(27-17)28-1-3-31-4-2-28)12-7-25-15(24)5-13(12)19(21,22)23/h5-7,30H,1-4,8-11H2,(H2,24,25)
Definition date:	2016-04-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol

6O3

6O3
Name:	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid
Formula:	C14 H13 N2 O3 P S
SMILES:	O=P(Cc2c1c(ncnc1)sc2c3ccc(C)cc3)(O)O
InChi:	InChI=1S/C14H13N2O3PS/c1-9-2-4-10(5-3-9)13-12(7-20(17,18)19)11-6-15-8-16-14(11)21-13/h2-6,8H,7H2,1H3,(H2,17,18,19)
Definition date:	2016-05-12
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid

231

231
Name:	4-PHENYL-1H-IMIDAZOLE
Formula:	C9 H8 N2
SMILES:	n2c(c1ccccc1)cnc2
InChi:	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
Definition date:	2007-05-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-phenyl-1H-imidazole

8EJ

8EJ
Name:	6-methylpyridine-3-carboxamide
Formula:	C7 H8 N2 O
SMILES:	Cc1ccc(cn1)C(N)=O
InChi:	InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
Definition date:	2017-01-31
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-methylpyridine-3-carboxamide

8H4

8H4
Name:	1~{H}-indazol-5-amine
Formula:	C7 H7 N3
SMILES:	Nc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
Definition date:	2017-02-06
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1~{H}-indazol-5-amine

8HB

8HB
Name:	(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid
Formula:	C24 H40 N7 O18 P3 S
SMILES:	C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C24H40N7O18P3S/c1-12(23(36)37)53-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(33)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13+,16+,17+,18-,22+/m0/s1
Definition date:	2017-02-07
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid

8HJ

8HJ
Name:	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C9 H9 N O2
SMILES:	Oc1ccc2CCC(=O)Nc2c1
InChi:	InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
Definition date:	2017-02-07
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one

8M4

8M4
Name:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
Formula:	C27 H29 N3 O4
SMILES:	c4(CC1CCCCC1)cccc(C(Nc2ccc(C(O)=O)cc2Nc3ccc(cc3)OC)=O)n4
InChi:	InChI=1S/C27H29N3O4/c1-34-22-13-11-20(12-14-22)28-25-17-19(27(32)33)10-15-23(25)30-26(31)24-9-5-8-21(29-24)16-18-6-3-2-4-7-18/h5,8-15,17-18,28H,2-4,6-7,16H2,1H3,(H,30,31)(H,32,33)
Definition date:	2017-02-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid

8MV

8MV
Name:	(5-formylfuran-2-yl)methyl acetate
Formula:	C8 H8 O4
SMILES:	C(c1ccc(COC(C)=O)o1)=O
InChi:	InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
Definition date:	2017-02-17
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(5-formylfuran-2-yl)methyl acetate

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